PUBCHEM-ZINC06308037 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 0.2410 1.3130 -0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3380 -0.2060 0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9440 -0.4970 1.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -0.0400 2.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -0.5070 2.5500 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9700 -0.4480 1.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1550 -0.1880 0.9210 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0490 -0.8610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6120 -1.9030 3.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7470 -2.7670 2.9750 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9250 -2.1920 3.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0840 -3.6830 4.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4150 -4.0120 4.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6530 -4.1520 4.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5340 -4.4430 5.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8940 -4.5040 6.2380 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5450 -4.2390 6.0250 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.9880 -4.6700 4.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4780 -4.0360 3.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5740 -4.3730 2.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0980 -4.0420 2.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3320 -3.7580 1.7630 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5410 0.6910 3.5400 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2480 1.1770 4.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8430 2.5310 4.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7300 2.9950 5.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6490 2.1910 5.7990 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2560 -0.8090 -0.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2280 1.7850 -0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1620 1.5260 -1.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4090 1.8090 0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1220 -1.5710 1.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9160 0.0020 1.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5240 -0.5920 -0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9710 -1.9550 0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9500 -1.6100 4.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7420 -1.8460 3.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9460 -4.2670 3.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2880 -4.0080 4.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1920 -5.7460 4.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5180 -4.2280 5.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5060 -4.3550 3.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5010 -2.9440 3.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6430 -5.4420 2.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9130 -3.8080 1.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0470 0.1800 3.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9960 0.4460 4.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4280 1.2890 5.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0450 3.2580 4.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4520 2.4790 3.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2600 -0.3700 -0.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3620 -1.8920 -0.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8570 -0.6300 -1.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4490 4.1350 5.9370 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 23 2 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 46 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 17 2 0 0 0 0 14 15 2 0 0 0 0 14 21 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 2 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 27 2 0 0 0 0 26 54 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 M CHG 1 54 -1 M END